2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid

C11H22O3 — CID 79622869

IUPAC2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid
SMILESCC(C)CC(C)OCC(C)(C)C(=O)O
InChIInChI=1S/C11H22O3/c1-8(2)6-9(3)14-7-11(4,5)10(12)13/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyBDKQXDZCQUSPGU-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.55
Rot. Bonds6

About 2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid

2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid (PubChem CID 79622869) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid
PubChem CID79622869
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid
SMILESCC(C)CC(C)OCC(C)(C)C(=O)O
InChIInChI=1S/C11H22O3/c1-8(2)6-9(3)14-7-11(4,5)10(12)13/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyBDKQXDZCQUSPGU-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid (CID 79622869) is 2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid is CC(C)CC(C)OCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid?
The InChIKey is BDKQXDZCQUSPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-8(2)6-9(3)14-7-11(4,5)10(12)13/h8-9H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid?
2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid is sourced from PubChem (CID 79622869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).